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MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC Simulations2026 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access
Sachin Shivakumar, Giorgia Frumenzio, Francesco Musiani, Fabio Affinito, Emiliano Ippoliti, Bharath Raghavan, +3 more
0citations -
The immuneML ecosystem for machine learning analysis of adaptive immune receptor repertoires2021 Nature Machine Intelligence article Biochemistry, Genetics and Molecular Biology vaccines and immunoinformatics approaches Open access
Milena Pavlović, Lonneke Scheffer, Keshav Motwani, Chakravarthi Kanduri, Radmila Kompova, Nikolay Vazov, +36 more
88citations -
plantiSMASH 2.0: Improvements to Detection, Annotation, and Prioritization of Plant Biosynthetic Gene Clusters2026 Journal of Molecular Biology article Medicine Microbial Natural Products and Biosynthesis Open access
Elena Del Pup, Charlotte Owen, Hannah E. Augustijn, Arjan Draisma, Guy Polturak, Satria Ardhe Kautsar, +3 more
10citations -
Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site2026 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
David Alencar Araripe, Alejandro Díaz‐Holguín, Antti Poso, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutiérrez‐de‐Terán, +1 more
3citations
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